Molecule

ID:23723

General Information
Structure
MolImage
Molecular Formula
C₅H₂BrClIN
Molecular Mass
318.33755
Exact Mass
316.81038675
Charge
0
InChI
InChI=1S/C5H2BrClIN/c6-3-1-4(8)5(7)9-2-3/h1-2H
InChIKey
ZAGGSGCNNVVSII-UHFFFAOYSA-N
Canonic Smiles
Brc1cnc(c(c1)I)Cl
Isomeric Smiles
c1(cnc(c(c1)I)Cl)Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.2774923
LogD (pH = 7.4)
3.2774923
Log P
3.2774923
Molar Refractivity
50.7525
Polarizability
19.908873
Polar Surface Area
12.89
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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